5-methyl-1-[[4-(oxolan-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid

C18H24N2O4 — CID 122103192

IUPAC5-methyl-1-[[4-(oxolan-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2ccc(C3CCOC3)cc2)C1
InChIInChI=1S/C18H24N2O4/c1-12-8-15(17(21)22)10-20(9-12)18(23)19-16-4-2-13(3-5-16)14-6-7-24-11-14/h2-5,12,14-15H,6-11H2,1H3,(H,19,23)(H,21,22)
InChIKeyBBGYCOWBEDSXQK-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.77
Rot. Bonds3

About 5-methyl-1-[[4-(oxolan-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid

5-methyl-1-[[4-(oxolan-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122103192) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-methyl-1-[[4-(oxolan-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[[4-(oxolan-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122103192
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name5-methyl-1-[[4-(oxolan-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)Nc2ccc(C3CCOC3)cc2)C1
InChIInChI=1S/C18H24N2O4/c1-12-8-15(17(21)22)10-20(9-12)18(23)19-16-4-2-13(3-5-16)14-6-7-24-11-14/h2-5,12,14-15H,6-11H2,1H3,(H,19,23)(H,21,22)
InChIKeyBBGYCOWBEDSXQK-UHFFFAOYSA-N
XLogP2.77
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101767
5-methyl-1-[[3-(phenylcarbamoylamino)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122101982
5-methyl-1-[[4-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102704
1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101962
5-methyl-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 167901294
1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102019
1-[(4-chloro-3-fluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102090
5-methyl-1-[(4-methyl-3-nitrophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122101780
5-methyl-1-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102780
1-[(6-carbamoyl-3-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102587
5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102444
1-[[4-(3-amino-3-oxopropoxy)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102372

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[[4-(oxolan-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[[4-(oxolan-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid (CID 122103192) is 5-methyl-1-[[4-(oxolan-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[[4-(oxolan-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[[4-(oxolan-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)Nc2ccc(C3CCOC3)cc2)C1.
What is the InChIKey of 5-methyl-1-[[4-(oxolan-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is BBGYCOWBEDSXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12-8-15(17(21)22)10-20(9-12)18(23)19-16-4-2-13(3-5-16)14-6-7-24-11-14/h2-5,12,14-15H,6-11H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 5-methyl-1-[[4-(oxolan-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
5-methyl-1-[[4-(oxolan-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[[4-(oxolan-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122103192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).